#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqp s SER 912 N 0.00 0.02 0.19 1.61 0.01 -1.26 -5.05 113.70 109.21 2cqp s SER 912 Ca 0.00 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 2cqp s SER 912 Cb 0.00 0.33 0.19 0.00 0.21 0.00 0.00 66.02 66.75 2cqp s SER 912 CO 0.00 -0.65 1.74 0.77 0.41 0.00 0.00 173.24 175.51 2cqp h SER 913 N 3.08 0.12 -0.35 2.44 4.64 -2.11 -3.48 113.55 117.89 2cqp h SER 913 Ca -0.33 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2cqp h SER 913 Cb 1.20 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2cqp h SER 913 CO 0.51 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 2cqp n GLY 914 N -1.27 -0.17 3.68 -0.77 0.00 -1.26 -5.17 105.19 100.24 2cqp n GLY 914 Ca 0.06 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 2cqp n GLY 914 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqp s SER 915 N -4.00 -0.17 -0.05 1.61 1.04 -1.26 -5.17 113.70 105.70 2cqp s SER 915 Ca 0.00 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 2cqp s SER 915 Cb 0.00 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 2cqp s SER 915 CO 0.00 -1.21 0.04 -0.55 0.98 0.00 0.00 173.24 172.50 2cqp s SER 916 N -2.97 5.44 0.95 7.02 0.15 -1.26 -5.01 113.70 118.02 2cqp s SER 916 Ca 0.17 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2cqp s SER 916 Cb -0.03 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2cqp s SER 916 CO 0.07 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2cqp n GLY 917 N 1.72 0.32 3.41 9.45 0.00 -1.26 -4.42 105.19 114.40 2cqp n GLY 917 Ca -0.16 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.52 2cqp n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqp s ALA 918 N -1.95 3.41 0.61 4.61 0.00 -1.26 -5.04 121.76 122.14 2cqp s ALA 918 Ca 0.00 -2.00 -0.18 0.00 0.00 0.00 0.00 51.96 49.78 2cqp s ALA 918 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2cqp s ALA 918 CO 0.00 -2.17 0.40 -1.13 0.00 0.00 0.00 175.76 172.86 2cqp n SER 919 N 6.21 -1.59 -3.78 0.00 3.41 -1.26 -5.01 113.62 111.61 2cqp n SER 919 Ca -0.08 0.68 -0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2cqp n SER 919 Cb 0.44 -1.13 -0.15 0.00 -0.26 0.00 0.00 64.21 63.11 2cqp n SER 919 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cqp s SER 920 N -1.21 0.02 0.00 4.04 0.01 -1.26 -4.88 113.70 110.42 2cqp s SER 920 Ca 0.66 0.09 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2cqp s SER 920 Cb -0.42 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 65.80 2cqp s SER 920 CO 0.58 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2cqp n GLY 921 N 4.03 5.07 3.17 3.44 0.00 -1.26 -4.98 105.19 114.65 2cqp n GLY 921 Ca -0.25 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2cqp n GLY 921 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqp s LYS 922 N 0.52 0.50 0.82 1.61 -2.85 -1.26 -4.74 119.74 114.34 2cqp s LYS 922 Ca 0.00 -0.09 -0.14 0.00 -1.00 0.00 0.00 55.97 54.74 2cqp s LYS 922 Cb 0.00 0.22 0.20 0.00 -2.06 0.00 0.00 37.83 36.19 2cqp s LYS 922 CO 0.00 -0.12 0.72 -0.35 0.10 0.00 0.00 175.35 175.71 2cqp n PRO 923 N 1.84 -2.44 0.00 1.78 -0.04 -1.26 -4.48 135.00 130.39 2cqp n PRO 923 Ca -0.19 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2cqp n PRO 923 Cb 0.56 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2cqp n PRO 923 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqp n GLY 924 N -2.34 0.37 3.61 0.55 0.00 -1.26 -5.02 105.19 101.10 2cqp n GLY 924 Ca 0.10 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2cqp n GLY 924 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqp s PRO 925 N 0.00 -0.83 -0.18 1.61 0.04 -1.26 -5.01 135.00 129.37 2cqp s PRO 925 Ca 0.00 0.08 -0.18 0.00 0.04 0.00 0.00 61.00 60.94 2cqp s PRO 925 Cb 0.00 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 2cqp s PRO 925 CO 0.00 -3.48 0.50 0.99 0.04 0.00 0.00 177.00 175.05 2cqp s THR 926 N -2.99 5.13 -0.21 1.26 2.01 -0.29 -4.85 115.64 115.71 2cqp s THR 926 Ca 0.69 0.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.54 2cqp s THR 926 Cb -0.12 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2cqp s THR 926 CO 0.56 0.22 0.11 -0.63 -0.69 0.00 0.00 174.62 174.20 2cqp s ILE 927 N 1.35 5.14 0.03 1.82 -1.09 -1.26 0.37 121.20 127.54 2cqp s ILE 927 Ca 0.24 0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 2cqp s ILE 927 Cb -0.15 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 2cqp s ILE 927 CO 0.10 0.41 0.02 -0.63 -1.23 0.00 0.00 174.94 173.61 2cqp s ILE 928 N 0.65 4.24 -0.13 2.92 1.01 0.83 -0.78 121.20 129.94 2cqp s ILE 928 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2cqp s ILE 928 Cb -0.12 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 2cqp s ILE 928 CO 0.01 0.29 -0.12 -0.54 0.00 0.00 0.00 174.94 174.58 2cqp s LYS 929 N -1.82 3.41 -0.14 2.79 3.01 -0.89 -2.05 119.74 124.04 2cqp s LYS 929 Ca 0.22 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 2cqp s LYS 929 Cb -0.12 -2.66 -0.01 0.00 -1.01 0.00 0.00 37.83 34.04 2cqp s LYS 929 CO 0.14 0.22 -0.15 0.08 0.51 0.00 0.00 175.35 176.15 2cqp s VAL 930 N 0.34 2.78 0.32 3.17 1.01 -0.01 -1.78 120.40 126.23 2cqp s VAL 930 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2cqp s VAL 930 Cb -0.16 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 2cqp s VAL 930 CO 0.05 0.52 0.10 -1.58 0.00 0.00 0.00 175.10 174.19 2cqp s GLN 931 N 0.63 1.63 -0.96 2.72 0.74 -0.42 -1.89 119.66 122.11 2cqp s GLN 931 Ca -0.08 -1.93 -0.01 0.00 0.05 0.00 0.00 55.36 53.40 2cqp s GLN 931 Cb -0.16 -0.50 0.00 0.00 1.10 0.00 0.00 33.01 33.45 2cqp s GLN 931 CO 0.03 -0.33 0.81 -1.71 -0.55 0.00 0.00 175.29 173.53 2cqp n ASN 932 N -0.80 -2.30 -4.35 6.67 4.05 -1.20 -0.63 115.26 116.70 2cqp n ASN 932 Ca -0.02 -0.49 -0.33 0.00 0.45 0.00 0.00 54.58 54.19 2cqp n ASN 932 Cb 0.66 -4.17 -0.15 0.00 1.23 0.00 0.00 39.78 37.35 2cqp n ASN 932 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2cqp s MET 933 N -5.16 3.36 0.95 1.20 -1.94 -0.82 -3.87 119.30 113.03 2cqp s MET 933 Ca 0.04 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 2cqp s MET 933 Cb -0.02 -2.63 0.16 0.00 2.01 0.00 0.00 34.83 34.35 2cqp s MET 933 CO 0.58 0.18 1.09 -1.25 -0.01 0.00 0.00 175.02 175.61 2cqp s PRO 934 N 0.43 0.79 0.51 2.03 0.04 -1.26 -3.94 135.00 133.59 2cqp s PRO 934 Ca -0.10 0.65 0.26 0.00 0.04 0.00 0.00 61.00 61.85 2cqp s PRO 934 Cb -0.16 -1.77 1.35 0.00 0.04 0.00 0.00 34.50 33.96 2cqp s PRO 934 CO 0.05 -2.52 2.03 0.74 0.04 0.00 0.00 177.00 177.34 2cqp h PHE 935 N -1.75 0.00 0.00 0.56 0.04 -1.99 -2.08 116.94 111.72 2cqp h PHE 935 Ca -0.52 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.24 2cqp h PHE 935 Cb 1.31 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 2cqp h PHE 935 CO 0.35 0.14 -0.03 1.79 -0.60 0.00 0.00 178.31 179.96 2cqp h THR 936 N 0.00 0.20 -3.88 -1.55 1.35 -2.00 -3.43 112.91 103.60 2cqp h THR 936 Ca -0.00 -0.28 -0.54 0.00 -0.55 0.00 0.00 66.41 65.04 2cqp h THR 936 Cb 0.39 1.22 0.10 0.00 -1.73 0.00 0.00 68.15 68.14 2cqp h THR 936 CO 0.02 0.03 0.79 -0.69 -0.25 0.00 0.00 175.52 175.42 2cqp s VAL 937 N -4.08 2.05 0.32 6.82 1.01 -0.79 -5.00 120.40 120.74 2cqp s VAL 937 Ca -0.03 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2cqp s VAL 937 Cb 0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2cqp s VAL 937 CO 0.50 0.01 0.37 -0.44 0.00 0.00 0.00 175.10 175.55 2cqp s SER 938 N -0.08 1.12 0.20 3.32 0.01 -1.26 -5.03 113.70 111.98 2cqp s SER 938 Ca 0.54 -1.57 -0.10 0.00 1.31 0.00 0.00 55.95 56.13 2cqp s SER 938 Cb -0.47 0.60 0.14 0.00 0.21 0.00 0.00 66.02 66.51 2cqp s SER 938 CO 0.62 -1.17 1.84 0.40 0.41 0.00 0.00 173.24 175.34 2cqp h ILE 939 N 2.17 1.21 -0.32 1.44 2.04 -1.99 -0.46 117.51 121.61 2cqp h ILE 939 Ca -0.28 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2cqp h ILE 939 Cb 1.24 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2cqp h ILE 939 CO 0.39 0.23 0.12 0.44 0.00 0.00 0.00 178.15 179.33 2cqp h ASP 940 N 1.01 0.44 -0.40 1.72 3.32 -1.99 -0.75 116.42 119.77 2cqp h ASP 940 Ca 0.26 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2cqp h ASP 940 Cb -0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2cqp h ASP 940 CO -0.05 0.49 0.19 -0.33 -1.72 0.00 0.00 179.24 177.82 2cqp h GLU 941 N 0.36 0.58 -0.03 3.56 4.39 -1.89 -0.95 114.58 120.60 2cqp h GLU 941 Ca 0.11 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2cqp h GLU 941 Cb 0.19 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2cqp h GLU 941 CO -0.01 0.51 0.02 0.82 -1.16 0.00 0.00 179.01 179.19 2cqp h ILE 942 N 0.51 1.05 -0.82 3.13 2.04 -0.96 0.35 117.51 122.81 2cqp h ILE 942 Ca 0.14 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2cqp h ILE 942 Cb 0.13 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2cqp h ILE 942 CO -0.02 0.04 0.53 -0.07 0.00 0.00 0.00 178.15 178.63 2cqp h LEU 943 N 0.00 0.89 -0.73 1.44 3.38 -1.03 -1.71 115.31 117.55 2cqp h LEU 943 Ca 0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2cqp h LEU 943 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2cqp h LEU 943 CO -0.00 0.62 -0.61 -0.78 0.09 0.00 0.00 178.44 177.76 2cqp h ASP 944 N 1.04 0.12 -0.53 -0.43 1.82 -0.92 -3.00 116.42 114.52 2cqp h ASP 944 Ca 0.32 -0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.81 2cqp h ASP 944 Cb -0.03 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 2cqp h ASP 944 CO -0.10 0.69 0.05 0.15 -1.61 0.00 0.00 179.24 178.42 2cqp h PHE 945 N 0.07 1.01 -0.29 0.28 3.57 0.53 -2.04 116.94 120.07 2cqp h PHE 945 Ca -0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2cqp h PHE 945 Cb 1.09 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2cqp h PHE 945 CO 0.01 0.89 0.00 1.19 -2.23 0.00 0.00 178.31 178.17 2cqp n PHE 946 N -4.21 0.44 -1.47 0.41 3.72 -0.73 -4.95 117.46 110.67 2cqp n PHE 946 Ca 0.03 -0.21 -0.41 0.00 -0.05 0.00 0.00 57.45 56.81 2cqp n PHE 946 Cb 0.30 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2cqp n PHE 946 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2cqp n TYR 947 N 0.36 -0.33 0.00 1.38 9.36 -0.77 -2.20 117.16 124.96 2cqp n TYR 947 Ca 0.10 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.92 2cqp n TYR 947 Cb 0.29 -2.01 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 2cqp n TYR 947 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2cqp n GLY 948 N 1.72 2.99 3.80 2.98 0.00 -1.26 -5.03 105.19 110.39 2cqp n GLY 948 Ca 0.11 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2cqp n GLY 948 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cqp s TYR 949 N -2.38 3.35 -1.04 1.61 2.02 -0.93 -5.03 117.35 114.95 2cqp s TYR 949 Ca 0.00 0.27 -0.23 0.00 -0.37 0.00 0.00 57.07 56.74 2cqp s TYR 949 Cb 0.00 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2cqp s TYR 949 CO 0.00 0.58 1.77 1.14 -1.57 0.00 0.00 175.55 177.47 2cqp s GLN 950 N -1.51 3.04 -0.04 -0.62 -2.07 -1.26 -4.95 119.66 112.24 2cqp s GLN 950 Ca 0.21 -0.91 -0.30 0.00 -1.82 0.00 0.00 55.36 52.54 2cqp s GLN 950 Cb -0.12 -5.24 -0.03 0.00 -1.09 0.00 0.00 33.01 26.53 2cqp s GLN 950 CO 0.11 -2.99 1.10 0.08 -1.32 0.00 0.00 175.29 172.27 2cqp s VAL 951 N 7.98 4.49 0.21 3.63 1.01 -1.26 -4.69 120.40 131.77 2cqp s VAL 951 Ca 0.61 1.79 -0.32 0.00 0.00 0.00 0.00 61.98 64.05 2cqp s VAL 951 Cb -0.02 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 2cqp s VAL 951 CO 0.00 0.05 1.50 -0.38 0.00 0.00 0.00 175.10 176.27 2cqp n ILE 952 N 4.34 0.54 -2.22 2.22 5.41 -1.23 -4.92 119.36 123.50 2cqp n ILE 952 Ca 0.09 -0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 2cqp n ILE 952 Cb 0.48 -1.55 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 2cqp n ILE 952 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2cqp s PRO 953 N 0.16 4.37 0.00 0.38 0.04 -1.26 -2.60 135.00 136.09 2cqp s PRO 953 Ca 0.72 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2cqp s PRO 953 Cb -0.65 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2cqp s PRO 953 CO 0.44 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2cqp n GLY 954 N 2.77 0.49 0.05 0.56 0.00 -1.26 -4.91 105.19 102.89 2cqp n GLY 954 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 2cqp n GLY 954 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cqp h SER 955 N 0.00 0.00 -0.16 1.61 4.64 -1.87 -3.46 113.55 114.32 2cqp h SER 955 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2cqp h SER 955 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2cqp h SER 955 CO 0.00 0.53 0.88 0.52 -0.87 0.00 0.00 176.83 177.89 2cqp n VAL 956 N -4.64 0.00 -4.50 0.95 0.31 -1.25 -4.68 118.33 104.51 2cqp n VAL 956 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 2cqp n VAL 956 Cb 0.05 -0.37 -0.17 0.00 -0.91 0.00 0.00 33.84 32.45 2cqp n VAL 956 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cqp s LEU 958 N 0.95 4.27 -0.15 0.00 1.43 -1.26 -0.26 118.68 123.64 2cqp s LEU 958 Ca -0.07 1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2cqp s LEU 958 Cb -0.15 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2cqp s LEU 958 CO -0.01 0.01 0.13 -0.75 0.23 0.00 0.00 176.35 175.96 2cqp s LYS 959 N -2.28 3.74 0.19 1.70 2.20 -0.62 -4.96 119.74 119.71 2cqp s LYS 959 Ca 0.43 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.92 2cqp s LYS 959 Cb -0.14 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2cqp s LYS 959 CO 0.20 0.57 -0.11 0.71 -0.36 0.00 0.00 175.35 176.36 2cqp s TYR 960 N -0.44 1.54 0.44 4.03 2.02 -1.26 -1.98 117.35 121.71 2cqp s TYR 960 Ca 0.12 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 2cqp s TYR 960 Cb -0.12 -0.76 0.08 0.00 -0.40 0.00 0.00 41.96 40.76 2cqp s TYR 960 CO 0.01 0.22 0.61 0.27 -1.57 0.00 0.00 175.55 175.09 2cqp n ASN 961 N -0.33 1.45 -0.32 2.29 6.94 -0.64 -4.90 115.26 119.75 2cqp n ASN 961 Ca -0.08 -2.07 0.09 0.00 -0.02 0.00 0.00 54.58 52.50 2cqp n ASN 961 Cb 0.61 -0.34 0.26 0.00 -2.36 0.00 0.00 39.78 37.96 2cqp n ASN 961 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2cqp h GLU 962 N 0.00 0.68 -0.21 -3.83 4.11 -2.02 0.13 114.58 113.44 2cqp h GLU 962 Ca -0.20 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.10 2cqp h GLU 962 Cb 0.91 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2cqp h GLU 962 CO 0.28 0.45 -0.26 0.87 0.07 0.00 0.00 179.01 180.42 2cqp h LYS 963 N 0.70 0.39 0.00 1.06 1.57 -2.05 -3.46 116.57 114.77 2cqp h LYS 963 Ca 0.51 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2cqp h LYS 963 Cb 0.74 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2cqp h LYS 963 CO -0.37 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 2cqp n GLY 964 N -0.43 0.85 3.83 3.86 0.00 0.44 -5.11 105.19 108.64 2cqp n GLY 964 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2cqp n GLY 964 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqp s MET 965 N -0.34 4.10 0.18 1.61 0.23 -1.26 -4.63 119.30 119.19 2cqp s MET 965 Ca 0.00 1.04 -0.30 0.00 -1.03 0.00 0.00 55.69 55.40 2cqp s MET 965 Cb 0.00 -2.16 -0.08 0.00 -1.53 0.00 0.00 34.83 31.05 2cqp s MET 965 CO 0.00 -0.13 1.32 -1.25 -2.03 0.00 0.00 175.02 172.93 2cqp s PRO 966 N -3.57 4.38 -0.22 3.16 0.04 -1.26 -1.62 135.00 135.91 2cqp s PRO 966 Ca 0.60 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.78 2cqp s PRO 966 Cb -0.09 -3.21 0.61 0.00 0.04 0.00 0.00 34.50 31.85 2cqp s PRO 966 CO 0.21 -0.29 1.53 0.25 0.04 0.00 0.00 177.00 178.74 2cqp n THR 967 N 2.95 2.28 -3.51 1.26 -2.24 -0.84 -4.89 114.28 109.28 2cqp n THR 967 Ca 0.07 -1.18 -0.24 0.00 -2.27 0.00 0.00 64.05 60.43 2cqp n THR 967 Cb 0.43 -0.39 0.06 0.00 -2.10 0.00 0.00 70.33 68.33 2cqp n THR 967 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqp n GLY 968 N 0.21 -0.54 2.96 3.38 0.00 -1.25 -4.82 105.19 105.12 2cqp n GLY 968 Ca 0.27 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 2cqp n GLY 968 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqp s GLU 969 N -6.22 0.27 -0.05 1.61 2.02 -1.26 -1.94 118.70 113.12 2cqp s GLU 969 Ca 0.54 -0.39 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 2cqp s GLU 969 Cb -0.24 -0.07 0.02 0.00 0.10 0.00 0.00 34.13 33.94 2cqp s GLU 969 CO 0.66 0.01 0.26 0.00 0.02 0.00 0.00 175.26 176.21 2cqp s ALA 970 N -0.80 -0.66 -0.03 5.21 0.00 -0.79 -1.59 121.76 123.09 2cqp s ALA 970 Ca -0.07 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.40 2cqp s ALA 970 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 2cqp s ALA 970 CO -0.00 -0.20 -0.25 -1.64 0.00 0.00 0.00 175.76 173.67 2cqp s MET 971 N -0.70 2.27 0.15 0.00 -1.94 0.64 -0.83 119.30 118.89 2cqp s MET 971 Ca -0.08 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.02 2cqp s MET 971 Cb -0.04 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 2cqp s MET 971 CO 0.02 0.52 -0.01 0.14 -0.01 0.00 0.00 175.02 175.67 2cqp s VAL 972 N -0.50 0.68 0.16 -6.03 -7.23 -0.87 -0.12 120.40 106.50 2cqp s VAL 972 Ca 0.06 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 2cqp s VAL 972 Cb -0.11 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2cqp s VAL 972 CO 0.00 -0.57 -0.18 0.00 -0.31 0.00 0.00 175.10 174.04 2cqp s ALA 973 N -3.65 2.00 0.02 1.32 0.00 -1.26 -0.12 121.76 120.07 2cqp s ALA 973 Ca 0.21 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.72 2cqp s ALA 973 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2cqp s ALA 973 CO 0.02 0.24 -0.10 -0.06 0.00 0.00 0.00 175.76 175.85 2cqp s PHE 974 N -2.04 0.87 0.16 0.00 0.40 0.16 -3.52 117.98 114.02 2cqp s PHE 974 Ca 0.16 -0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 2cqp s PHE 974 Cb -0.06 -0.53 0.01 0.00 0.51 0.00 0.00 43.02 42.95 2cqp s PHE 974 CO 0.07 -0.01 1.39 0.93 0.70 0.00 0.00 175.22 178.30 2cqp h GLU 975 N 5.20 0.38 -5.50 0.44 5.08 -1.87 -0.75 114.58 117.56 2cqp h GLU 975 Ca -0.34 -0.34 -0.67 0.00 -1.00 0.00 0.00 59.36 57.00 2cqp h GLU 975 Cb 1.19 0.08 -0.28 0.00 0.50 0.00 0.00 28.75 30.24 2cqp h GLU 975 CO 0.45 1.00 -0.80 0.45 -1.00 0.00 0.00 179.01 179.11 2cqp s SER 976 N -7.00 3.74 0.26 1.42 0.15 -1.26 -4.78 113.70 106.23 2cqp s SER 976 Ca -0.05 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 56.19 2cqp s SER 976 Cb 0.10 -1.41 0.32 0.00 -1.71 0.00 0.00 66.02 63.32 2cqp s SER 976 CO 0.84 0.19 1.82 -0.09 1.20 0.00 0.00 173.24 177.21 2cqp h ARG 977 N 6.49 0.98 -0.82 5.44 9.65 -1.97 -2.28 114.38 131.87 2cqp h ARG 977 Ca -0.27 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2cqp h ARG 977 Cb 1.21 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 2cqp h ARG 977 CO 0.52 0.82 0.49 0.22 2.80 0.00 0.00 179.97 184.83 2cqp h ASP 978 N 0.95 0.98 -0.21 -3.80 3.58 -1.99 -2.20 116.42 113.73 2cqp h ASP 978 Ca 0.22 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2cqp h ASP 978 Cb 0.23 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2cqp h ASP 978 CO -0.01 0.76 0.02 -0.33 -2.88 0.00 0.00 179.24 176.80 2cqp h GLU 979 N 1.12 0.36 -0.43 0.28 4.39 -1.90 -1.40 114.58 116.99 2cqp h GLU 979 Ca 0.29 -0.10 0.08 0.00 0.34 0.00 0.00 59.36 59.97 2cqp h GLU 979 Cb -0.04 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 2cqp h GLU 979 CO -0.05 0.52 0.05 0.00 -1.16 0.00 0.00 179.01 178.36 2cqp h ALA 980 N 0.82 0.45 -0.45 3.43 0.00 -1.17 0.12 119.26 122.46 2cqp h ALA 980 Ca 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2cqp h ALA 980 Cb 0.34 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2cqp h ALA 980 CO 0.01 -0.35 0.09 1.15 0.00 0.00 0.00 179.25 180.15 2cqp h THR 981 N 0.17 1.24 -0.80 0.00 2.02 -1.34 -1.60 112.91 112.59 2cqp h THR 981 Ca 0.22 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2cqp h THR 981 Cb 0.29 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2cqp h THR 981 CO -0.32 0.30 0.52 0.00 0.37 0.00 0.00 175.52 176.39 2cqp h ALA 982 N 0.96 1.01 -0.58 6.16 0.00 -0.60 -0.12 119.26 126.09 2cqp h ALA 982 Ca 0.14 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2cqp h ALA 982 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2cqp h ALA 982 CO 0.00 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 2cqp h ALA 983 N 1.28 0.79 -0.09 0.00 0.00 -0.63 -1.08 119.26 119.54 2cqp h ALA 983 Ca 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2cqp h ALA 983 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2cqp h ALA 983 CO -0.06 0.68 0.00 0.28 0.00 0.00 0.00 179.25 180.15 2cqp h VAL 984 N 0.96 1.24 -0.48 0.00 2.07 -0.87 0.54 116.25 119.71 2cqp h VAL 984 Ca 0.16 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2cqp h VAL 984 Cb 0.63 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2cqp h VAL 984 CO 0.04 0.22 0.25 0.40 0.02 0.00 0.00 177.57 178.49 2cqp h ILE 985 N -0.11 1.18 0.00 4.57 2.04 -1.01 1.89 117.51 126.07 2cqp h ILE 985 Ca 0.03 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 2cqp h ILE 985 Cb 0.34 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2cqp h ILE 985 CO 0.00 0.20 -0.47 0.44 0.00 0.00 0.00 178.15 178.32 2cqp h ASP 986 N 0.63 0.00 -0.21 1.72 5.19 -1.17 -3.15 116.42 119.43 2cqp h ASP 986 Ca 0.17 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.49 2cqp h ASP 986 Cb 0.09 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 2cqp h ASP 986 CO -0.02 0.47 -0.17 0.18 -3.12 0.00 0.00 179.24 176.57 2cqp n LEU 987 N -3.47 3.52 -4.70 1.55 4.77 0.19 -4.98 117.00 113.88 2cqp n LEU 987 Ca 0.00 -3.64 -0.40 0.00 -0.03 0.00 0.00 56.01 51.95 2cqp n LEU 987 Cb 0.60 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2cqp n LEU 987 CO 0.39 1.16 0.37 0.21 -1.33 0.00 0.00 177.39 178.19 2cqp s ASN 988 N -2.68 6.86 -1.27 -1.43 3.84 0.64 -3.97 114.94 116.93 2cqp s ASN 988 Ca 0.41 1.04 -0.07 0.00 0.21 0.00 0.00 52.86 54.45 2cqp s ASN 988 Cb 0.37 -2.38 0.01 0.00 -0.55 0.00 0.00 41.25 38.70 2cqp s ASN 988 CO -0.01 -0.16 1.10 -0.67 -2.79 0.00 0.00 177.10 174.58 2cqp n ASP 989 N 4.19 -5.47 -4.75 -4.21 -0.08 -0.98 -4.97 116.55 100.28 2cqp n ASP 989 Ca -0.02 -0.53 -0.39 0.00 -1.51 0.00 0.00 54.79 52.34 2cqp n ASP 989 Cb 0.51 -4.83 -0.05 0.00 2.34 0.00 0.00 41.12 39.09 2cqp n ASP 989 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2cqp s ARG 990 N -6.09 4.39 -1.03 -0.67 0.52 -1.22 -4.73 118.95 110.12 2cqp s ARG 990 Ca 0.46 0.87 -0.24 0.00 -0.52 0.00 0.00 55.73 56.30 2cqp s ARG 990 Cb -0.20 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.85 2cqp s ARG 990 CO 0.69 0.32 1.94 -1.25 0.02 0.00 0.00 175.30 177.03 2cqp s PRO 991 N -0.10 2.53 -0.06 3.54 0.04 -1.26 -1.36 135.00 138.32 2cqp s PRO 991 Ca 0.34 -0.69 -0.26 0.00 0.04 0.00 0.00 61.00 60.43 2cqp s PRO 991 Cb -0.19 -5.15 -0.03 0.00 0.04 0.00 0.00 34.50 29.17 2cqp s PRO 991 CO 0.19 -3.65 0.83 0.42 0.04 0.00 0.00 177.00 174.84 2cqp s ILE 992 N 10.49 4.95 0.00 0.56 1.01 0.14 -4.76 121.20 133.59 2cqp s ILE 992 Ca 0.69 1.71 0.00 0.00 0.00 0.00 0.00 60.65 63.05 2cqp s ILE 992 Cb -0.04 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2cqp s ILE 992 CO 0.05 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2cqp n GLY 993 N 3.09 0.23 0.00 6.18 0.00 -1.26 -0.47 105.19 112.96 2cqp n GLY 993 Ca 0.03 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2cqp n GLY 993 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqp n SER 994 N 4.20 0.31 -4.19 1.61 2.88 -1.26 -5.08 113.62 112.08 2cqp n SER 994 Ca 0.00 -0.78 -0.13 0.00 -1.33 0.00 0.00 58.87 56.63 2cqp n SER 994 Cb 0.00 0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.47 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2cqp s ARG 995 N -0.12 0.90 0.21 -1.46 0.52 0.38 -5.11 118.95 114.27 2cqp s ARG 995 Ca 0.00 -1.31 -0.20 0.00 -0.52 0.00 0.00 55.73 53.70 2cqp s ARG 995 Cb 0.00 -0.43 -0.08 0.00 0.52 0.00 0.00 34.95 34.96 2cqp s ARG 995 CO 0.00 0.04 0.71 0.15 0.02 0.00 0.00 175.30 176.22 2cqp s LYS 996 N -3.47 4.27 0.10 3.54 1.02 -1.26 0.26 119.74 124.19 2cqp s LYS 996 Ca 0.11 0.87 0.03 0.00 0.02 0.00 0.00 55.97 57.01 2cqp s LYS 996 Cb 0.02 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2cqp s LYS 996 CO -0.02 0.43 0.10 0.14 -0.92 0.00 0.00 175.35 175.08 2cqp s VAL 997 N -1.46 4.61 -0.17 3.17 -7.23 -0.47 -4.56 120.40 114.29 2cqp s VAL 997 Ca 0.41 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.78 2cqp s VAL 997 Cb -0.17 -3.25 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 2cqp s VAL 997 CO 0.21 0.08 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.22 2cqp s LYS 998 N -2.55 3.32 -0.13 4.82 2.36 0.20 -2.31 119.74 125.46 2cqp s LYS 998 Ca 0.30 -0.69 -0.01 0.00 -2.55 0.00 0.00 55.97 53.02 2cqp s LYS 998 Cb -0.12 -2.75 -0.02 0.00 -1.05 0.00 0.00 37.83 33.89 2cqp s LYS 998 CO 0.23 0.01 -0.08 -0.51 1.55 0.00 0.00 175.35 176.55 2cqp s LEU 999 N 0.87 3.05 0.02 5.43 1.43 -1.26 -1.30 118.68 126.93 2cqp s LEU 999 Ca -0.03 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2cqp s LEU 999 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2cqp s LEU 999 CO 0.00 0.21 -0.16 -0.69 0.23 0.00 0.00 176.35 175.94 2cqp s VAL 1000N 0.08 1.27 0.12 -1.59 1.01 -0.73 -4.95 120.40 115.61 2cqp s VAL 1000Ca -0.02 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2cqp s VAL 1000Cb -0.14 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 2cqp s VAL 1000CO 0.03 0.18 1.01 -0.76 0.00 0.00 0.00 175.10 175.56 2cqp s LEU 1001N -0.85 4.48 0.03 3.92 1.43 -1.26 -2.11 118.68 124.33 2cqp s LEU 1001Ca 0.05 1.87 -0.35 0.00 -1.03 0.00 0.00 54.13 54.66 2cqp s LEU 1001Cb -0.07 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.42 2cqp s LEU 1001CO 0.01 -0.13 1.63 0.61 0.23 0.00 0.00 176.35 178.69 2cqp n GLY 1002N 2.29 1.05 3.47 -3.19 0.00 0.04 -4.89 105.19 103.96 2cqp n GLY 1002Ca 0.03 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 2cqp n GLY 1002CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqp s SER 1003N 1.98 6.30 0.00 1.61 0.15 -1.26 -4.90 113.70 117.58 2cqp s SER 1003Ca 0.86 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2cqp s SER 1003Cb -0.78 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.09 2cqp s SER 1003CO 0.47 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 174.13 2cqp n GLY 1004N 5.48 0.21 3.68 9.45 0.00 -1.26 -4.65 105.19 118.09 2cqp n GLY 1004Ca 0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 2cqp n GLY 1004CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqp s PRO 1005N -2.00 0.40 -0.57 1.61 0.04 -1.26 -5.01 135.00 128.21 2cqp s PRO 1005Ca 0.00 0.51 -0.10 0.00 0.04 0.00 0.00 61.00 61.45 2cqp s PRO 1005Cb 0.00 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.95 2cqp s PRO 1005CO 0.00 -2.75 0.46 0.45 0.04 0.00 0.00 177.00 175.20 2cqp s SER 1006N -3.46 5.89 -0.68 6.66 0.15 -1.26 -4.96 113.70 116.04 2cqp s SER 1006Ca 0.65 -2.18 -0.13 0.00 0.70 0.00 0.00 55.95 54.99 2cqp s SER 1006Cb -0.19 -2.05 0.18 0.00 -1.71 0.00 0.00 66.02 62.25 2cqp s SER 1006CO 0.58 -0.64 0.61 -0.55 1.20 0.00 0.00 173.24 174.43 2cqp s SER 1007N 2.40 6.34 0.00 5.45 0.15 -1.26 -4.88 113.70 121.90 2cqp s SER 1007Ca 0.09 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 54.41 2cqp s SER 1007Cb -0.23 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2cqp s SER 1007CO -0.02 -0.66 0.40 0.61 1.20 0.00 0.00 173.24 174.77